SCHEMBL1807902

SCHEMBL1807902

O=C(c1cccc2cccnc12)N1CCC(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.50
▸ HTR2C P28335 1/20 0.50
▸ CHRM2 P08172 2/20 0.49
▸ EPHX2 P34913 3/20 0.42
▸ PKLR P30613 2/20 0.42
▸ CCR3 P51677 1/20 0.42
▸ CACNA1B Q00975 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ MAPK7 Q13164 2/20 0.41
▸ SLC40A1 Q9NP59 1/20 0.41
▸ MGLL Q99685 1/20 0.41
▸ PDE4A P27815 1/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ SYK P43405 1/20 0.40
▸ HCRTR1 O43613 1/20 0.40
▸ HCRTR2 O43614 1/20 0.40
▸ SCN9A Q15858 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1809658 0.91 SLC40A1 (0.51) HTR2AHTR2CCHRM2PKLRCCR3
SCHEMBL2224619 0.85 SCN9A (0.55) HTR2AHTR2CCHRM2SCN9A
SCHEMBL1811543 0.84 TDP1 (0.50) HTR2AHTR2CCHRM2CCR3TDP1
SCHEMBL1811014 0.84 CCR3 (0.50) HTR2AHTR2CCHRM2CCR3SLC40A1
SCHEMBL1809428 0.82 HTR2A (0.51) HTR2AHTR2CPKLRCCR3CACNA1B
SCHEMBL1810294 0.80 SCN9A (0.45) EPHX2CACNA1BMAPK7MGLLSCN9A
SCHEMBL1809184 0.79 CHRM2 (0.52) HTR2AHTR2CCHRM2PKLRCCR3
SCHEMBL1809328 0.77 SMN1; SMN2 (0.50) SCN9A
SCHEMBL1807395 0.76 MMP2 (0.49) HTR2AEPHX2MGLL
SCHEMBL12100686 0.75 PRCP (0.40) HTR2ASLC40A1PDE4APDE4BPDE4D

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 — — US claimed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 — — US claimed
WO-2011058766-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2011-05-19 — — WO claimed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 — — US disclosed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 — — US disclosed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 — — US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 — — US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 — — US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 — — US disclosed
WO-2011058766-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2011-05-19 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN1B, SCN1A, SCN2B HTR2A 661/4885HTR2C 771/4885CHRM2 825/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback